SCHEMBL13759166

SCHEMBL13759166

COc1cc2nc(N3CCOCC3)nc(C(=O)Nc3ccc4[nH]c(C)c(C)c4c3)c2cc1CCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
KDR P35968 3/20 0.40
MET P08581 9/20 0.39
DYRK1A Q13627 1/20 0.39
AURKA O14965 3/20 0.39
ROCK2 O75116 2/20 0.39
AURKB Q96GD4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
RET P07949 1/20 0.39
MAPT P10636 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
LTK P29376 1/20 0.39
TTK P33981 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAP2K1 Q02750 1/20 0.39
BTK Q06187 1/20 0.39
TYRO3 Q06418 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL427071 0.88 MAPK14 (0.49) EGFRKDRMETAURKAROCK2
SCHEMBL14412724 0.85 MAPK14 (0.51) EGFRKDRMETAURKAROCK2
SCHEMBL13759171 0.77 EGFR (0.43) EGFRKDRROCK2SRCEHMT2
SCHEMBL426551 0.75 GRM4 (0.46) ALDH1A1MAPT
SCHEMBL427735 0.75 RAB9A (0.46) ALDH1A1MAPT
SCHEMBL425540 0.75 MAPK14 (0.49) EGFRKDRMETAURKAROCK2
SCHEMBL3111928 0.74 RAF1 (0.40) ALDH1A1
SCHEMBL13759154 0.74 EHMT2 (0.46) KDREHMT2EHMT1
SCHEMBL3114282 0.73 THRB (0.45) EGFRALDH1A1MAPT
SCHEMBL424718 0.73 EHMT2 (0.52) KDREHMT2EHMT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 WO disclosed